[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 6-(aminocarbonylamino)hexanoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCCCCNC(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C18H24N4O4S/c1-22(11-15-21-13-7-4-5-8-14(13)27-15)16(23)12-26-17(24)9-3-2-6-10-20-18(19)25/h4-5,7-8H,2-3,6,9-12H2,1H3,(H3,19,20,25)